Geometry & MOs

Info

ID:	393732
PubChem CID:	135021572
Reduced:	BrFSiC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	431.194402
ΔH_f, kcal/mol:	-64.29
Dipole, Da:	1.24
IP(EA), eV:	-9.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-tert-butyl 5-O-ethyl 5-(2-ethoxy-2-oxoacetyl)-2-methyl-1,4-dihydro-1-benzazepine-4,5-dicarboxylate

Drug info:

PubChemData

Smile

C=CC[Si](CC=C)(C1=CC=C(C=C1)Br)F

DOS

IR

Vibrations